General Information of the Compound
| Compound ID |
CP0482384
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| Compound Name |
3-[[2-(2,5-dimethylphenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
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| Structure |
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| Formula |
C21H20FN3O4
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| Molecular Weight |
397.406
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| Canonical SMILES |
Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H20FN3O4/c1-12-3-4-13(2)18(9-12)25-19(26)10-17(24-25)21(29)23-16(11-20(27)28)14-5-7-15(22)8-6-14/h3-10,16,24H,11H2,1-2H3,(H,23,29)(H,27,28)
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| InChIKey |
YBVHBZGXPINVMH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound